3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-3-yl)propanamide
Chemical Structure Depiction of
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-3-yl)propanamide
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-3-yl)propanamide
Compound characteristics
| Compound ID: | D481-0102 |
| Compound Name: | 3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-3-yl)propanamide |
| Molecular Weight: | 437.89 |
| Molecular Formula: | C21 H20 Cl N7 O2 |
| Smiles: | CC1=C(CCC(Nc2cccnc2)=O)C(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.272 |
| logD: | 2.2285 |
| logSw: | -3.1561 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.287 |
| InChI Key: | VSQBYJUIIGWCIW-UHFFFAOYSA-N |